UCSF

ZINC37859755

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.59 5.79 -177.12 5 4 3 46 260.446 10
Mid Mid (pH 6-8) 0.59 6.33 -96.82 4 4 2 49 259.438 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )